Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA-dependent protein kinase catalytic subunit' and Ligand = 'BDBM50526931'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526931 (CHEMBL4474502) Show SMILES COc1ccc(C)c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c1 |r,wU:21.21,wD:18.17,(65.59,-35.67,;64.26,-36.43,;64.26,-37.97,;65.61,-38.75,;65.6,-40.29,;64.26,-41.06,;64.25,-42.6,;62.93,-40.28,;61.59,-41.05,;60.26,-40.28,;58.93,-41.04,;57.6,-40.28,;57.59,-38.73,;56.44,-37.69,;54.94,-38.01,;57.07,-36.28,;56.3,-34.94,;58.6,-36.44,;59.63,-35.29,;61.13,-35.61,;62.16,-34.48,;61.69,-33.01,;62.72,-31.87,;60.18,-32.69,;59.15,-33.83,;58.93,-37.95,;60.27,-38.73,;62.93,-38.74,)| Show InChI InChI=1S/C20H25N5O3/c1-12-4-9-15(28-3)10-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-5-7-14(26)8-6-13/h4,9-11,13-14,26H,5-8H2,1-3H3,(H,21,22,23)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50526931 (CHEMBL4474502) Show SMILES COc1ccc(C)c(Nc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c1 |r,wU:21.21,wD:18.17,(65.59,-35.67,;64.26,-36.43,;64.26,-37.97,;65.61,-38.75,;65.6,-40.29,;64.26,-41.06,;64.25,-42.6,;62.93,-40.28,;61.59,-41.05,;60.26,-40.28,;58.93,-41.04,;57.6,-40.28,;57.59,-38.73,;56.44,-37.69,;54.94,-38.01,;57.07,-36.28,;56.3,-34.94,;58.6,-36.44,;59.63,-35.29,;61.13,-35.61,;62.16,-34.48,;61.69,-33.01,;62.72,-31.87,;60.18,-32.69,;59.15,-33.83,;58.93,-37.95,;60.27,-38.73,;62.93,-38.74,)| Show InChI InChI=1S/C20H25N5O3/c1-12-4-9-15(28-3)10-16(12)22-19-21-11-17-18(23-19)25(20(27)24(17)2)13-5-7-14(26)8-6-13/h4,9-11,13-14,26H,5-8H2,1-3H3,(H,21,22,23)/t13-,14-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr foll...				J Med Chem 63: 3461-3471 (2020) Article DOI: 10.1021/acs.jmedchem.9b01684 BindingDB Entry DOI: 10.7270/Q22Z18Z4
					More data for this Ligand-Target Pair